MMsINC Database Search


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MMsINC code: MMs03390557

Type: Neutral
Formula: C₁₆H₁₇F₂NO₂

SMILES:

FC(F)(C(Nc1ccc(OC)cc1)c1ccccc1)CO

InChI:

InChI=1/C16H17F2NO2/c1-21-14-9-7-13(8-10-14)19-15(16(17,18)11-20)12-5-3-2-4-6-12/h2-10,15,19-20H,11H2,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.77 kcal/mol

Physical Properties
Molecular Weight: 293.313 g/mol	logS: -3.50042	SlogP: 3.9914	Reactive groups: 0

Topological Properties
Globularity: 0.197842	Sterimol/B1: 2.89244	Sterimol/B2: 4.71686	Sterimol/B3: 4.87591
Sterimol/B4: 6.61401	Sterimol/L: 12.9038

Surface and Volume Properties
Accessible surface: 514.622	Positive charged surface: 327.792	Negative charged surface: 186.83	Volume: 271.875
Hydrophobic surface: 413.697	Hydrophilic surface: 100.925

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.